butane; ethane-1,2-diol; oxidanidyl(oxidanylidene)titanium; hydroxide

Systemtic Name: butane; ethane-1,2-diol; oxidanidyl(oxidanylidene)titanium; hydroxide Openeye Name: butane; ethylene glycol; oxido(oxo)titanium; hydroxide CAS Name: butane; ethane-1,2-diol; oxido(oxo)titanium; hydroxide IUPAC Name: butane; ethane-1,2-diol; oxido(oxo)titanium; hydroxide Traditional Name: butane; ethylene glycol; keto(oxido)titanium; hydroxide Formula: C18H43O5Ti-6 MolecularWeight: 387.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].C(CO)O.[OH-].[O-][Ti]=O

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CCC[CH2-].CCC[CH2-].C(CO)O.[OH-].[O-][Ti]=O

InChI

InChI=1S/4C4H9.C2H6O2.H2O.2O.Ti/c4*1-3-4-2;3-1-2-4;;;;/h4*1,3-4H2,2H3;3-4H,1-2H2;1H2;;;/q4*-1;;;;-1;/p-1